1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid

C13H23NO5 — CID 69042568

IUPAC1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid
SMILESCCN(C(=O)OC(C)(C)C)C1(C(=O)O)CCC(O)C1
InChIInChI=1S/C13H23NO5/c1-5-14(11(18)19-12(2,3)4)13(10(16)17)7-6-9(15)8-13/h9,15H,5-8H2,1-4H3,(H,16,17)
InChIKeyMVFCKPSLLZDFBF-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.61
Rot. Bonds3

About 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid

1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid (PubChem CID 69042568) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid
PubChem CID69042568
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid
SMILESCCN(C(=O)OC(C)(C)C)C1(C(=O)O)CCC(O)C1
InChIInChI=1S/C13H23NO5/c1-5-14(11(18)19-12(2,3)4)13(10(16)17)7-6-9(15)8-13/h9,15H,5-8H2,1-4H3,(H,16,17)
InChIKeyMVFCKPSLLZDFBF-UHFFFAOYSA-N
XLogP1.61
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 64514983
4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-methylazepane-4-carboxylic acid
CID 65074907
1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]cyclopropane-1-carboxylic acid
CID 103439539
1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid
CID 64515227
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,4-dimethylcyclohexane-1-carboxylic acid
CID 64753944
tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate
CID 171784493
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857394
ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 67155525
3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 64515470
tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate
CID 165095069
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,4,4-trimethylcyclopentane-1-carboxylic acid
CID 106663418
5-chloro-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 103828221

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid (CID 69042568) is 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid is CCN(C(=O)OC(C)(C)C)C1(C(=O)O)CCC(O)C1.
What is the InChIKey of 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is MVFCKPSLLZDFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5-14(11(18)19-12(2,3)4)13(10(16)17)7-6-9(15)8-13/h9,15H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid?
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 69042568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).